1,3-bis(oxidanyl)propan-2-yl phosphate; iron(3+)

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl phosphate; iron(3+) Openeye Name: diferric [2-hydroxy-1-(hydroxymethyl)ethyl] phosphate CAS Name: 1,3-dihydroxypropan-2-yl phosphate; iron(3+) IUPAC Name: 1,3-dihydroxypropan-2-yl phosphate; iron(3+) Traditional Name: diferric (2-hydroxy-1-methylol-ethyl) phosphate Formula: C9H21Fe2O18P3 MolecularWeight: 621.863523

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OP(=O)([O-])[O-])O.C(C(CO)OP(=O)([O-])[O-])O.C(C(CO)OP(=O)([O-])[O-])O.[Fe+3].[Fe+3]

Isomeric SMILES

C(C(CO)OP(=O)([O-])[O-])O.C(C(CO)OP(=O)([O-])[O-])O.C(C(CO)OP(=O)([O-])[O-])O.[Fe+3].[Fe+3]

InChI

InChI=1S/3C3H9O6P.2Fe/c3*4-1-3(2-5)9-10(6,7)8;;/h3*3-5H,1-2H2,(H2,6,7,8);;/q;;;2*+3/p-6